SCHEMBL3398564

SCHEMBL3398564

Cc1ccc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cc1CNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
TACR1 P25103 1/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
PTGER2 P43116 1/20 0.37
BACE1 P56817 1/20 0.36
FFAR1 O14842 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AOC3 Q16853 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12053392 0.91 HDAC1 (0.41) CHRM3TACR1HPGDPKMHTT
SCHEMBL3426968 0.84 AGXT (0.36) MRGPRX4FFAR1
SCHEMBL4095202 0.84 EPHX1 (0.45) TACR1FFAR1
SCHEMBL4103863 0.83 TACR1 (0.44) TACR1DHODHPTGER2BACE1FFAR1
SCHEMBL4098806 0.83 CHRM3 (0.41) CHRM3TACR1PTGER2BACE1FFAR1
SCHEMBL1362409 0.83 LMNA (0.41) HPGDHTTMRGPRX4SHMT1SHMT2
SCHEMBL4095280 0.82 TACR1 (0.44) TACR1DHODHPTGER2FFAR1AOC3
SCHEMBL4088107 0.81 PDCD1 (0.41) TACR1BACE1FFAR1NPC1RAB9A
SCHEMBL4093359 0.81 MAPT (0.42) TACR1HTTPTGER2CYP1A2CYP2C9
SCHEMBL1363073 0.81 CTSB (0.35) CHRM3TACR1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B CHRM3 8/4885TACR1 128/4885HPGD 663/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 CHRM3 5/4885TACR1 140/4885HPGD 477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.